1-(Benzyloxy)-3-bromobenzene
TL;DR: 1-(Benzyloxy)-3-bromobenzene (CAS 5402-60-8) is a chemical compound with molecular formula C13H11BrO and molecular weight 262.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-phenylmethoxybenzene
Also Known As: 3-Benzyloxybromobenzene, 1-(benzyloxy)-3-bromobenzene, 1-Benzyloxy-3-bromobenzene, 1-bromo-3-benzyloxybenzene, Benzyl 3-Bromophenyl Ether
| Molecular Formula | C13H11BrO |
|---|---|
| Molecular Weight | 262.00 g/mol |
| LogP | 4.0281 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.99933 |
| Heavy Atoms | 15 |
| Complexity | 425.5609 |
Chemical Identifiers
| CAS Number | 5402-60-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=CC=C2)Br |
Product Overview
1-(Benzyloxy)-3-bromobenzene (CAS 5402-60-8), with molecular formula C13H11BrO and molecular weight 262.00 g/mol. IUPAC: 1-bromo-3-phenylmethoxybenzene.
Chemical Property Profile of 1-(Benzyloxy)-3-bromobenzene
Property Insights of 1-(Benzyloxy)-3-bromobenzene
The XLogP value of 4.0281 indicates that 1-(Benzyloxy)-3-bromobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-(Benzyloxy)-3-bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzyloxy)-3-bromobenzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Benzyloxy)-3-bromobenzene?
The CAS number of 1-(Benzyloxy)-3-bromobenzene is 5402-60-8.
What is the molecular formula of 1-(Benzyloxy)-3-bromobenzene?
The molecular formula of 1-(Benzyloxy)-3-bromobenzene is C13H11BrO.
What is the molecular weight of 1-(Benzyloxy)-3-bromobenzene?
The molecular weight of 1-(Benzyloxy)-3-bromobenzene is 262.00 g/mol.
Where can I buy 1-(Benzyloxy)-3-bromobenzene?
You can request a quote for 1-(Benzyloxy)-3-bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyloxy)-3-bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyloxy)-3-bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.